SCHEMBL20979377

SCHEMBL20979377

Cc1oc(-c2ccc(F)cc2)nc1CN1CCC(C(=O)NCCCN2CCCC(C)C2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.85
HTT P42858 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPK1 P28482 1/20 0.62
MAPT P10636 4/20 0.62
THRB P10828 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 1/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2C P18825 1/20 0.61
SLC6A2 P23975 1/20 0.61
HRH2 P25021 1/20 0.61
SLC6A4 P31645 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
TP53 P04637 4/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2363355 0.92 MITF (1.00) MITFHTTL3MBTL1NPSR1MAPK1
SCHEMBL17348173 0.92 HTT (0.74) MITFHTTL3MBTL1ALDH1A1NPSR1
SCHEMBL20979246 0.91 HTT (0.72) MITFHTTL3MBTL1ALDH1A1NPSR1
SCHEMBL18782441 0.89 MITF (0.78) MITFHTTL3MBTL1MAPK1MAPT
SCHEMBL17348101 0.88 MITF (0.78) MITFHTTL3MBTL1ALDH1A1MAPT
SCHEMBL17348136 0.86 MITF (0.81) MITFHTTL3MBTL1MAPK1MAPT
SCHEMBL2363171 0.86 MITF (1.00) MITFHTTALDH1A1NPSR1MAPT
SCHEMBL17348102 0.85 HTT (0.77) MITFHTTL3MBTL1ALDH1A1NPSR1
SCHEMBL18782230 0.84 MITF (0.78) MITFHTTL3MBTL1MAPK1MAPT
SCHEMBL18782191 0.84 CHRM5 (0.85) MITFHTTL3MBTL1MAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154966-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF US HEALTH (US) 2019-05-08 EP disclosed